Richard West

Hmm. the `Map.containsKey()` uses `.equals()` (and potentially `.hashCode()`) Could you get close to the problem, then stick a breakpoint inside `Species.equals()` and `hashCode()`? (or just inspect the code there and...

The immediate problem of C2O2 being removed from the primaryThermoLibrary has been resolved by ff9031db340c4736a61280163cf6abb25aaf0d24 and more generally the merge commit d4938891ea1640a5c8833b99504e3e4b35d36b83. However, I'm leaving this issue open until DFT_QCI...

Josh tried to help with 36da5c574fa7fca5ffefc0402df15e433a59b189 but it hasn't solved the problem.

I think I may be on to something.... http://www.yoda.arachsys.com/java/strings.html

Use StringBuffer for string concatenation when reading FAME output. Strings are immutable. Adding a line onto the end of a string is inefficient, and doing it many many thousands of...

only thing to be wary of with StringBuffers is that toString() can waste memory http://fishbowl.pastiche.org/2005/04/27/the_string_memory_gotcha/ (but no more than the original StringBuffer)

In da2ca3d8761807a32c3e2e95a1461330b4160373 I changed it further, so that we process the results directly from the buffer, instead of storing it in a StringBuilder first.

I have just re-opened this bug. Although the recent changes have helped, it still gets stuck somewhere. Previously I got to 19 core species, this time I got to 45....

If you do want to just replace all the ` ` with `\ ` then you could consider `folder_name.replace(' ','\ ')` instead of your split and recombine routine. ```python In...

@JacksonBurns I'm hesitant to set the precedent of merging my own code. Would you like to check this and do the honors?